2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]ethanamide

Systemtic Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxidanylidene-piperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]ethanamide Openeye Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-piperazin-1-ium-2-yl]-N-[(3-methyl-4-pyridyl)methyl]acetamide CAS Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxo-2-piperazin-1-iumyl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide IUPAC Name: 2-[(2R)-1-[(2-methoxyphenyl)methyl]-3-oxopiperazin-1-ium-2-yl]-N-[(3-methylpyridin-4-yl)methyl]acetamide Traditional Name: 2-[(2R)-3-keto-1-o-anisyl-piperazin-1-ium-2-yl]-N-[(3-methyl-4-pyridyl)methyl]acetamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CNC(=O)CC2C(=O)NCC[NH+]2CC3=CC=CC=C3OC

Isomeric SMILES

CC1=C(C=CN=C1)CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CC=CC=C3OC

InChI

InChI=1S/C21H26N4O3/c1-15-12-22-8-7-16(15)13-24-20(26)11-18-21(27)23-9-10-25(18)14-17-5-3-4-6-19(17)28-2/h3-8,12,18H,9-11,13-14H2,1-2H3,(H,23,27)(H,24,26)/p+1/t18-/m1/s1